@inbook{05ae86daf8e24553be7c81a654d037eb,
title = "Computational approaches to aid PROTAC drug discovery",
abstract = "Targeted protein degradation (TPD) has opened new avenues for targeting disease-causing proteins that were previously considered “undruggable.” PROTACs are among the most advanced TPD modalities and work by inducing proximity between a protein of interest (POI) and E3 ligase, facilitating degradation of the POI. The structural complexity of PROTACs means they generally fall beyond the Rule-of-five space and their rational design is highly challenging. In this chapter, we review state-of-the-art computational approaches for PROTAC design. We share our perspectives on how PROTAC designers can best leverage the available tools, despite known limitations, and discuss opportunities for future developments.",
author = "Sohini Chakraborti and Kirsten McAulay",
year = "2025",
month = feb,
day = "21",
doi = "10.1016/B978-0-443-29808-0.00004-2",
language = "English",
series = "Reference Module in Chemistry, Molecular Sciences and Chemical Engineering",
publisher = "Elsevier",
booktitle = "Reference Module in Chemistry, Molecular Sciences and Chemical Engineering",
address = "Netherlands",
}